Chemical Properties of Glutaric acid, but-3-yn-2-yl 2-chloro-6-fluorophenyl ester

Glutaric acid, but-3-yn-2-yl 2-chloro-6-fluorophenyl ester

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InChI
InChI=1S/C15H14ClFO4/c1-3-10(2)20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h1,4,6-7,10H,5,8-9H2,2H3
InChI Key
GCRIWMOZZCAZNK-UHFFFAOYSA-N
Formula
C15H14ClFO4
SMILES
C#CC(C)OC(=O)CCCC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
312.72
Sources

Physical Properties

Property Value Unit Source
Δf -285.38 kJ/mol Joback Calculated Property
Δfgas -554.17 kJ/mol Joback Calculated Property
Δfus 40.17 kJ/mol Joback Calculated Property
Δvap 73.93 kJ/mol Joback Calculated Property
logPoct/wat 3.12 Crippen Calculated Property
Pc 2083.12 kPa Joback Calculated Property
Tboil 758.20 K Joback Calculated Property
Tc 972.08 K Joback Calculated Property
Tfus 517.07 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 576.15 J/mol×K 758.2 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-F 1
=CH- (ring) 3
#C- 1
=C< (ring) 3
-CH2- 3
-Cl 1
#CH 1
-CH3 1
>C=O (nonring) 2

Similar Compounds

Glutaric acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester. Glutaric acid, 8-chlorooctyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 10-chlorodecyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester. Succinic acid, 2-chloro-6-fluorophenyl pent-4-en-1-yl ester. Succinic acid, 2-chloro-6-fluorophenyl dodec-9-yn-1-yl ester. Succinic acid, 2-chloro-6-fluorophenyl 10-chlorodecyl ester. Succinic acid, 2-chloro-6-fluorophenyl 8-chlorooctyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,2,2-trichloroethyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-cyanophenyl ester. Glutaric acid, (2-chlorocyclohexyl)methyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 4-biphenyl ester. Succinic acid, 2-chloro-6-fluorophenyl tetrahydrofurfuryl ester. Glutaric acid, 2-fluorophenyl but-3-yn-2-yl ester.

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